NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 3.7860 8.4387 119.0642 55.9865 30.2204 173.1833 2 A 4.7010 6.7727 119.3064 50.5481 22.4913 174.1283 3 T 4.7787 10.0091 117.2850 61.7767 73.1700 171.7016 4 L 5.4465 8.5983 124.2040 53.0020 46.3890 175.7028 5 K 4.6694 8.8001 123.3308 55.2700 35.1912 175.1521 6 E 5.1390 8.9795 127.5279 56.1921 30.8108 176.2249 7 S 4.7790 9.5747 116.4592 57.4419 67.1111 173.2696 8 G 4.5081 8.1649 106.6688 45.4386 0.0000 171.0089 9 P 4.3593 0.0000 0.0000 63.5915 31.3712 177.0482 10 G 4.1910 8.1879 111.9812 45.5738 0.0000 172.4214 11 I 5.2987 7.1688 120.4074 58.7084 41.0103 174.0295 12 L 4.6621 8.8634 124.7798 55.0382 44.6588 174.4000 13 Q 5.1337 9.3934 118.4542 53.4693 30.9136 176.1517 14 S 4.4922 8.3776 115.9905 59.7105 63.3110 174.8291 15 S 4.2536 9.6070 117.5956 58.3682 62.9565 169.1751 16 Q 4.2565 7.6042 119.8578 55.7630 30.4844 174.6448 17 T 4.7561 8.1621 117.0188 62.2623 70.0516 174.3859 18 L 4.2767 8.9659 129.7202 54.1782 43.6199 175.2774 19 S 5.0323 8.5850 122.4171 56.9456 64.8585 173.3279 20 L 4.8904 8.8013 125.5492 53.2577 44.3515 175.9872 21 T 5.4077 9.0083 118.0927 62.0183 72.9513 172.1329 22 C 5.4571 9.5460 124.6628 55.0956 44.7582 172.6036 23 S 5.3153 9.0332 123.0725 56.9947 64.3208 173.3600 24 F 5.6929 8.0650 119.5360 55.3012 40.7536 174.3856 25 S 4.4606 9.2050 113.5072 58.0559 66.3731 175.1141 26 G 3.9495 11.0735 108.9165 46.5172 0.0000 172.7074 27 F 4.8303 7.3284 112.1899 56.1721 40.7306 173.1735 28 S 4.7344 8.4600 116.7690 56.4428 64.3973 175.5196 29 L 4.1153 8.5266 127.5010 57.5052 42.0775 178.1935 30 S 4.6105 8.0293 111.0547 59.5313 63.9009 174.4936 31 T 3.9263 7.7521 120.0399 63.0188 68.7058 173.7290 32 S 2.7900 8.2603 120.0002 59.7585 62.6980 173.8892 33 G 3.6253 5.3800 115.2174 45.2575 0.0000 173.1266 34 M 4.5402 7.8134 119.3347 55.6560 33.4845 175.7720 35 G 4.3006 8.1496 106.8370 46.0459 0.0000 172.0463 36 V 4.8625 8.1449 119.2522 61.0844 34.9861 174.4868 37 S 5.2980 8.8729 123.1391 56.7085 66.3559 172.7811 38 W 5.1699 8.7721 121.6129 55.1554 31.5623 175.2705 39 I 5.2829 9.2928 124.8336 59.5530 40.8681 174.6255 40 R 4.9405 9.2445 120.6114 54.6256 33.5714 174.0266 41 Q 5.0405 8.7167 121.8641 52.4471 30.6374 171.9520 42 P 4.5573 0.0000 0.0000 63.5454 32.3396 177.0396 43 S 3.5748 8.2986 120.8800 59.8673 62.0291 173.3182 44 G 4.0671 8.7230 115.4791 46.5267 0.0000 173.2630 45 K 4.4788 7.9409 118.5178 55.5400 35.7074 177.3449 46 G 4.1114 9.2478 108.1464 45.4311 0.0000 172.0090 47 L 5.1090 8.0157 116.9814 52.8543 45.6404 175.8577 48 E 4.8023 9.1903 122.8410 54.2039 32.9440 174.1377 49 W 4.7489 9.1794 135.0000 57.5170 31.5014 174.7663 50 L 4.3286 7.9200 125.7162 55.5760 43.5508 176.1001 51 A 4.0489 6.2534 116.9171 51.3726 22.5408 174.2375 52 H 5.2108 8.9987 118.6771 54.5753 34.0385 171.9306 53 I 4.7698 8.2775 124.7003 59.4509 41.0861 174.3599 54 Y 5.0621 8.8806 127.2631 56.1244 39.6254 176.7258 55 W 4.5648 9.6547 117.9714 58.6257 28.1251 176.7316 56 D 4.4740 6.9486 116.4665 52.7432 38.8436 176.5943 57 D 4.5618 8.1526 117.0354 54.7014 40.9358 173.5450 58 D 4.6053 7.6416 118.4271 55.2881 42.4002 175.1343 59 K 5.1574 8.5841 122.7478 54.8670 36.2532 175.8149 60 R 4.9049 8.9593 122.5011 54.7151 34.1930 174.0070 61 Y 4.9641 8.6776 118.8730 55.6623 42.2805 174.7626 62 N 4.6600 8.8139 121.6068 53.5084 39.3172 174.1206 63 P 4.4693 0.0000 0.0000 65.5990 31.7011 178.5138 64 S 4.3116 8.1305 111.0515 59.8147 63.3485 174.6067 65 L 4.6091 8.1802 120.4900 53.9797 43.0763 177.7823 66 K 3.5810 7.7643 121.7791 59.4995 32.0375 178.3941 67 S 4.3044 7.8989 110.7392 59.7159 63.4712 174.5067 68 R 4.5748 8.1665 118.9036 54.8938 31.7000 174.9607 69 L 5.1755 7.1068 116.8634 53.1997 43.8921 176.2701 70 T 4.7443 8.8116 119.0258 61.9133 72.2381 172.6734 71 I 5.1052 9.2104 127.5650 59.6302 40.4135 174.3647 72 S 4.9548 8.8953 121.7291 57.5701 66.9017 172.5857 73 K 5.0707 8.5777 117.8862 55.7034 35.8808 175.9242 74 D 4.8711 9.2916 121.3438 51.8398 42.2945 175.8428 75 T 4.0578 8.6331 116.8522 64.3335 68.7059 176.2908 76 S 4.2072 8.0028 116.4322 60.3860 62.9789 175.6421 77 R 4.3786 7.7446 119.3723 54.2827 31.2729 175.9255 78 K 3.0292 7.8519 118.0449 57.3968 30.3205 174.3306 79 Q 4.9796 7.4205 114.9465 54.0845 33.5897 175.8686 80 V 4.6592 8.8023 121.9461 61.1166 35.0492 174.2904 81 F 5.6382 9.3309 124.0761 55.6890 43.2550 173.7682 82 L 4.9853 8.5402 122.9599 53.0354 45.2374 174.8503 83 K 4.9213 9.0610 127.4768 54.5762 35.3049 174.5980 84 I 5.0114 8.7541 128.0071 59.6621 40.0154 175.2116 85 T 4.2306 8.8908 118.3909 60.8362 70.4988 174.2780 86 S 3.8817 8.1874 114.3688 58.3606 60.7198 172.5523 87 V 4.0618 7.9079 114.9064 61.5130 32.6721 175.6484 88 D 5.1191 9.0850 120.8313 50.7262 42.7889 174.6237 89 P 4.4150 0.0000 0.0000 65.6358 31.2581 178.1962 90 A 4.2525 8.7409 119.3963 53.6453 18.2313 177.4764 91 D 4.7746 8.3451 115.1205 54.4165 41.6587 176.9178 92 T 4.3110 7.9921 118.1056 64.2423 69.4251 173.3488 93 A 4.6128 8.7239 126.6898 51.9042 23.7741 174.6743 94 T 4.7718 7.8739 115.8196 62.9843 70.1763 173.9507 95 Y 5.0309 9.1322 124.4128 56.5265 40.6201 174.2788 96 Y 5.4524 9.6173 121.6992 56.3354 41.4964 172.1622 97 C 4.4586 9.0654 118.5626 53.7867 43.6850 173.1176 98 V 4.6220 8.1045 114.3814 59.3384 36.0162 174.5958 99 R 4.1685 8.8300 125.8406 56.3821 31.1632 175.4336 100 R 4.9878 8.4530 126.1212 52.9948 31.2866 172.6809 101 P 4.9134 0.0000 0.0000 62.0358 33.4163 174.8084 102 I 5.1911 9.0254 115.1329 57.6514 41.4723 174.6844 103 T 4.3564 8.5499 111.6937 61.6298 68.6203 172.7372 104 P 4.3125 0.0000 0.0000 64.3468 31.7403 177.1794 105 V 3.7081 7.3006 119.1595 62.5722 31.9046 176.0809 106 L 3.9769 8.5059 126.8231 57.0594 41.7545 177.0924 107 V 3.8909 7.5281 118.3097 61.5884 30.2110 174.2748 108 D 5.4406 8.2230 127.6019 52.2285 41.3276 174.4901 109 A 4.0782 7.6721 125.6297 51.6109 22.6561 175.2275 110 M 5.1254 9.0040 119.8800 54.0747 30.1766 176.1569 111 D 4.3674 8.3419 122.5151 54.5854 40.3904 177.0421 112 Y 4.7757 7.6179 117.3019 56.0119 41.7931 174.1512 113 W 4.7076 9.1547 123.8854 54.5573 31.9462 176.0070 114 G 4.4769 8.9130 111.7787 45.7497 0.0000 173.7192 115 Q 4.3308 8.8740 117.1475 57.0547 29.1673 177.5986 116 G 3.9364 9.7699 103.8904 45.8215 0.0000 172.5074 117 T 4.6519 8.5428 113.8905 59.8771 70.9436 172.9025 118 S 4.6539 8.7712 123.7032 58.2169 64.0342 172.5576 119 V 4.6800 9.2849 127.0907 61.4072 34.6380 174.0191 120 T 4.9831 8.9967 124.4582 61.8010 71.3393 173.1399 121 V 4.7075 8.7718 128.0167 62.2162 31.9895 174.9894 122 S 4.5786 9.0445 120.8770 58.0028 66.2108 175.6386 123 S 4.6474 8.5488 119.0295 57.8967 63.3606 174.5703 124 A 3.7986 7.3660 124.3021 52.0495 18.4302 177.4601 125 K 4.5948 7.8876 118.7583 54.9882 34.7803 176.5065 126 T 4.4998 8.5176 116.8262 65.1484 69.1652 173.8870 127 T 4.7224 9.5592 122.7327 61.6777 73.0087 171.9310 128 P 4.9243 0.0000 0.0000 61.5768 32.2972 174.6242 129 P 4.7108 0.0000 0.0000 63.0551 32.4366 175.7929 130 S 4.3816 8.9137 118.4687 57.7928 64.5178 173.2624 131 V 4.5382 7.9091 123.6753 61.2985 33.3505 173.9834 132 Y 5.1488 8.7146 126.4149 55.3985 40.6614 173.6408 133 P 4.7772 0.0000 0.0000 62.8248 32.9285 175.9479 134 L 4.7389 9.1995 122.8792 53.2580 43.4156 174.9894 135 A 4.7897 8.3039 125.0579 48.6256 21.4659 174.7269 136 P 4.4989 0.0000 0.0000 61.7608 30.8028 176.6695 *144 S 4.5197 8.5398 114.5969 58.8659 63.9207 173.3424 145 M 5.2174 7.9355 118.8686 53.3702 34.6708 175.0836 146 V 4.4883 8.9009 121.3125 60.2287 34.7775 174.3342 147 T 4.9172 8.3604 119.4599 62.0029 70.3126 173.6298 148 L 4.6652 8.3803 125.5043 53.1514 46.3277 174.9528 149 G 4.6558 8.2814 105.7811 46.4581 0.0000 171.5620 150 C 5.6450 9.4185 116.1840 55.0860 43.0030 173.3202 151 L 4.9629 9.1614 125.4384 53.4468 44.0785 175.1342 152 V 4.6776 9.2294 127.3389 61.2170 33.1077 173.7237 153 K 4.8141 9.1292 130.0298 54.9740 35.3382 176.2054 154 G 3.9653 8.8969 114.9557 46.8702 0.0000 172.6355 155 Y 5.0808 7.3209 116.2486 55.3283 41.7125 173.9677 156 F 5.1280 8.9001 119.1542 57.0492 43.5538 172.0167 157 P 3.8799 0.0000 0.0000 61.0429 33.4129 175.1711 158 E 4.1502 8.0083 118.7585 55.9178 29.8113 174.7101 159 P 4.7817 0.0000 0.0000 61.4858 33.6078 174.6038 160 V 4.6290 7.8554 111.1236 59.6622 34.6634 175.3997 161 T 4.6695 8.3697 112.7610 60.0073 71.8881 173.2597 162 V 4.8946 8.1454 121.9977 61.4852 34.5605 174.2969 163 T 4.8383 8.8233 117.0450 59.6587 73.0524 172.3575 164 W 5.1413 8.3533 119.8453 55.5276 33.1394 175.8127 165 N 4.2462 10.2872 121.3699 54.9540 36.2967 175.0354 166 S 3.6525 10.1804 107.7100 59.7169 61.0892 174.1008 167 G 4.1132 8.5305 110.8303 45.6536 0.0000 176.8413 168 S 4.0861 7.9398 115.0704 60.4389 62.8988 173.9069 169 L 4.5195 7.2434 119.1796 53.3972 41.0716 175.0730 170 S 4.6743 8.3363 119.8892 58.6551 65.1982 175.4592 171 S 4.2271 7.9163 116.0743 59.1565 63.5024 173.8414 172 G 3.7199 8.6214 110.6714 46.2435 0.0000 172.4337 173 V 4.6174 7.4481 118.4747 61.1653 33.4506 174.7356 174 H 4.7294 9.2076 124.4204 54.3221 31.9533 172.4371 175 T 4.9435 8.3401 120.2939 61.8119 70.1326 174.2614 176 F 4.6446 8.9463 125.7255 55.6054 40.4600 174.4708 177 P 4.4207 0.0000 0.0000 62.2712 31.8903 176.4749 178 A 4.6037 8.5015 123.3246 52.3940 19.2770 176.9515 179 V 4.6075 8.9072 119.6014 60.8250 35.6387 174.6819 180 L 4.2167 8.5230 125.9881 54.4685 42.2064 176.6337 181 Q 4.1386 9.6015 125.8862 54.7931 30.2258 174.8248 182 S 3.5752 8.8005 123.8434 59.7942 59.4228 171.7783 183 D 4.3244 8.1537 114.8584 54.7558 38.3030 173.7542 184 L 4.8508 7.1084 118.5309 53.1771 46.4557 175.0458 185 Y 4.4432 8.6488 118.0987 57.1486 40.3247 175.1865 186 T 5.4374 8.8067 118.0377 62.0346 73.2531 173.0807 187 L 5.4419 9.5524 125.5248 54.5521 45.0236 174.6911 188 S 5.2759 8.6190 112.1982 57.3929 67.1374 172.5952 189 S 5.4928 9.2003 114.1868 57.0679 66.0515 172.7745 190 S 5.4907 9.8089 120.9362 56.6892 66.5761 173.1283 191 V 4.6592 8.2540 119.5942 60.3916 34.8382 173.7321 192 T 4.9822 8.2219 119.2837 61.9727 70.7636 173.9888 193 V 4.5519 8.3520 118.2085 58.3657 36.6889 173.2546 194 P 4.5800 0.0000 0.0000 63.2578 31.6027 177.7779 195 S 4.2405 9.2942 121.1702 61.9797 63.0400 177.1879 196 S 4.1935 8.0736 114.9912 61.1799 62.8574 175.1270 197 T 4.2713 8.1424 109.5840 61.9213 69.2489 174.0480 198 W 4.9796 7.8159 132.4677 55.1502 33.2255 172.6355 199 P 3.3501 0.0000 0.0000 62.0446 31.0017 176.6419 200 S 4.1210 7.9216 115.2357 60.8355 62.9072 174.3434 201 E 4.7040 8.3971 120.2285 53.9263 31.2244 175.9927 202 T 4.1884 8.4383 113.5962 61.6907 69.7671 173.6677 203 V 4.8612 8.6350 122.9581 61.6409 34.9822 174.0518 204 T 5.2362 9.5346 124.1497 61.8957 72.4155 170.2710 205 C 4.1840 8.7990 121.2824 53.7430 42.9212 172.2637 206 N 5.2415 8.7038 121.7245 51.6689 40.1574 173.9403 207 V 4.6649 8.6933 124.9724 60.8677 34.1451 174.0577 208 A 5.0325 8.6408 129.5647 50.5088 22.2077 174.6868 209 H 5.0101 9.2485 121.5617 53.3502 30.7899 172.0504 210 P 4.1611 0.0000 0.0000 64.9985 31.6342 178.9529 211 A 3.8757 7.7358 120.0169 54.2739 18.3678 177.9778 212 S 4.6224 7.6738 107.6838 57.3814 63.3382 173.9023 213 S 3.7487 7.9643 115.2083 60.0135 61.0745 171.8979 214 T 4.7749 7.6085 108.4460 59.8759 71.4709 173.0516 215 K 5.0551 8.4995 121.5603 54.6796 36.1013 175.6631 216 V 4.2915 8.8998 123.3199 61.3250 34.7223 174.1030 217 D 4.9519 8.7563 127.6156 52.3526 41.6533 173.8571 218 K 4.2924 8.7289 124.2294 54.5487 33.2841 175.3694 219 K 4.5946 8.6372 129.9427 56.6117 33.0502 176.1587 220 I 4.3992 8.8360 129.1371 60.7641 37.4613 175.7954 221 V 4.6306 8.4502 120.3307 58.5147 34.1245 174.1480 222 P 4.5999 0.0000 0.0000 64.0974 31.8645 176.8841 223 R 4.3069 8.6561 117.3513 56.8504 29.5136 176.5171 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 Q 8.44 3.79 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 2 A 6.77 4.70 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 10.01 4.78 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 4 L 8.60 5.45 0.00 1.65 1.51 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.80 4.67 0.00 1.84 1.65 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.47 7.81 6 E 8.98 5.14 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.32 0.00 7 S 9.57 4.78 0.00 3.82 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.16 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.36 0.00 2.04 2.11 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 10 G 8.19 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.17 5.30 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 1.13 0.00 0.00 12 L 8.86 4.66 0.00 1.93 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.39 5.13 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 14 S 8.38 4.49 0.00 4.07 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 9.61 4.25 0.00 4.12 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.60 4.26 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 17 T 8.16 4.76 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 18 L 8.97 4.28 0.00 1.58 1.37 0.72 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.59 5.03 0.00 3.70 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.80 4.89 0.00 0.81 1.15 0.06 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 21 T 9.01 5.41 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 22 C 9.55 5.46 0.00 2.72 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 9.03 5.32 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.07 5.69 0.00 3.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 9.20 4.46 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 11.07 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.33 4.83 0.00 3.12 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.46 4.73 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.53 4.12 0.00 1.04 1.68 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.03 4.61 0.00 4.14 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.75 3.93 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 32 S 8.26 2.79 0.00 3.49 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 5.38 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 7.81 4.54 0.00 2.11 2.37 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.71 0.00 35 G 8.15 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.14 4.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.74 0.00 0.00 37 S 8.87 5.30 0.00 3.77 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.77 5.17 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 9.29 5.28 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 1.27 0.00 0.00 40 R 9.24 4.94 0.00 0.98 1.35 0.00 2.37 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 41 Q 8.72 5.04 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.03 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 42 P 0.00 4.56 0.00 2.13 1.97 0.00 4.04 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 43 S 8.30 3.57 0.00 3.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.72 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.94 4.48 0.00 1.74 1.68 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.40 7.81 46 G 9.25 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.02 5.11 0.00 1.68 1.69 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.19 4.80 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 49 W 9.18 4.75 0.00 3.37 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.92 4.33 0.00 1.57 1.52 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 A 6.25 4.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 9.00 5.21 0.00 3.51 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.28 4.77 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.51 0.86 0.00 0.00 54 Y 8.88 5.06 0.00 2.85 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 9.65 4.56 0.00 3.55 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 6.95 4.47 0.00 2.47 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.15 4.56 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.64 4.61 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.58 5.16 0.00 1.69 1.43 0.00 1.86 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.70 7.81 60 R 8.96 4.90 0.00 1.90 2.06 0.00 3.39 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 61 Y 8.68 4.96 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.81 4.66 0.00 2.82 2.69 0.00 0.00 7.38 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.47 0.00 2.29 2.17 0.00 3.81 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 64 S 8.13 4.31 0.00 3.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.18 4.61 0.00 1.76 1.68 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.76 3.58 0.00 1.82 1.77 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.09 7.81 67 S 7.90 4.30 0.00 3.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.17 4.57 0.00 1.78 1.92 0.00 3.30 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 69 L 7.11 5.18 0.00 1.52 1.70 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.81 4.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 I 9.21 5.11 1.85 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.70 0.00 0.00 72 S 8.90 4.95 0.00 4.07 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.58 5.07 0.00 1.80 1.83 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.38 1.52 7.81 74 D 9.29 4.87 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.63 4.06 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 76 S 8.00 4.21 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.74 4.38 0.00 1.95 2.05 0.00 3.54 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 78 K 7.85 3.03 0.00 1.41 0.88 0.00 1.35 0.00 0.00 1.45 0.00 0.00 2.61 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.11 1.21 7.81 79 Q 7.42 4.98 0.00 1.69 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 80 V 8.80 4.66 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.90 0.00 0.00 81 F 9.33 5.64 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.54 4.99 0.00 0.27 0.16 0.79 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.06 4.92 0.00 1.73 1.54 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.29 7.81 84 I 8.75 5.01 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.29 0.88 0.00 0.00 85 T 8.89 4.23 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 86 S 8.19 3.88 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.91 4.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 88 D 9.09 5.12 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.41 0.00 2.21 2.18 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 90 A 8.74 4.25 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.35 4.77 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.99 4.31 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 93 A 8.72 4.61 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.87 4.77 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 95 Y 9.13 5.03 0.00 3.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 9.62 5.45 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 C 9.07 4.46 0.00 1.75 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.10 4.62 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.42 0.00 0.00 99 R 8.83 4.17 0.00 1.58 1.81 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.00 100 R 8.45 4.99 0.00 1.71 1.76 0.00 3.03 0.00 0.00 2.96 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.36 0.00 101 P 0.00 4.91 0.00 2.08 1.90 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 102 I 9.03 5.19 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.71 1.15 0.00 0.00 103 T 8.55 4.36 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 104 P 0.00 4.31 0.00 1.95 2.07 0.00 3.47 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 105 V 7.30 3.71 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.83 0.00 0.00 106 L 8.51 3.98 0.00 1.66 1.69 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.53 3.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.91 0.00 0.00 108 D 8.22 5.44 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.67 4.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 M 9.00 5.13 0.00 1.49 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.18 0.00 111 D 8.34 4.37 0.00 2.37 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 7.62 4.78 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 W 9.15 4.71 0.00 3.02 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.91 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.87 4.33 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 116 G 9.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.54 4.65 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 118 S 8.77 4.65 0.00 3.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.28 4.68 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.84 0.00 0.00 120 T 9.00 4.98 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 121 V 8.77 4.71 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 122 S 9.04 4.58 0.00 3.98 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.55 4.65 0.00 3.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.37 3.80 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.89 4.59 0.00 1.89 1.79 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.47 7.81 126 T 8.52 4.50 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 127 T 9.56 4.72 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 128 P 0.00 4.92 0.00 1.95 2.02 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 129 P 0.00 4.71 0.00 1.98 1.91 0.00 3.70 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 130 S 8.91 4.38 0.00 3.59 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.91 4.54 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.78 0.00 0.00 132 Y 8.71 5.15 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.78 0.00 2.19 2.16 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 134 L 9.20 4.74 0.00 1.78 1.67 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.30 4.79 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.50 0.00 2.16 1.94 0.00 3.58 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 *144 S 8.54 4.52 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 M 7.94 5.22 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 146 V 8.90 4.49 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.88 0.00 0.00 147 T 8.36 4.92 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 148 L 8.38 4.67 0.00 1.03 1.21 -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.28 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 9.42 5.64 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 9.16 4.96 0.00 1.85 1.72 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 152 V 9.23 4.68 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.88 0.00 0.00 153 K 9.13 4.81 0.00 1.96 1.71 0.00 1.86 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 154 G 8.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 7.32 5.08 0.00 2.95 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.90 5.13 0.00 3.26 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 3.88 0.00 1.69 0.98 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 158 E 8.01 4.15 0.00 1.69 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 159 P 0.00 4.78 0.00 2.10 1.99 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 160 V 7.86 4.63 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.62 0.00 0.00 161 T 8.37 4.67 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 162 V 8.15 4.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.83 0.00 0.00 163 T 8.82 4.84 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 164 W 8.35 5.14 0.00 3.46 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 N 10.29 4.25 0.00 2.90 2.90 0.00 0.00 6.78 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 10.18 3.65 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 8.53 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 7.94 4.09 0.00 4.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.24 4.52 0.00 1.70 1.91 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 170 S 8.34 4.67 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 7.92 4.23 0.00 3.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 G 8.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 7.45 4.62 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.87 0.00 0.00 174 H 9.21 4.73 0.00 2.88 2.49 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 8.34 4.94 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 176 F 8.95 4.64 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 P 0.00 4.42 0.00 2.14 2.05 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 178 A 8.50 4.60 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 V 8.91 4.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.06 0.00 0.00 180 L 8.52 4.22 0.00 1.49 1.45 0.86 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 9.60 4.14 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.17 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 182 S 8.80 3.58 0.00 4.02 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 D 8.15 4.32 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.11 4.85 0.00 1.55 1.56 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 8.65 4.44 0.00 1.56 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 8.81 5.44 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 187 L 9.55 5.44 0.00 1.96 1.92 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.62 5.28 0.00 3.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 9.20 5.49 0.00 4.09 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 9.81 5.49 0.00 3.95 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 V 8.25 4.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 0.46 0.00 0.00 192 T 8.22 4.98 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 193 V 8.35 4.55 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.89 0.00 0.00 194 P 0.00 4.58 0.00 2.09 2.00 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 195 S 9.29 4.24 0.00 3.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 S 8.07 4.19 0.00 3.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 T 8.14 4.27 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 198 W 7.82 4.98 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 P 0.00 3.35 0.00 1.50 0.49 0.00 3.52 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.30 0.00 200 S 7.92 4.12 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 8.40 4.70 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 202 T 8.44 4.19 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 203 V 8.64 4.86 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.11 0.00 0.00 204 T 9.53 5.24 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 205 C 8.80 4.18 0.00 1.23 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 N 8.70 5.24 0.00 2.56 2.81 0.00 0.00 6.06 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 V 8.69 4.66 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.72 0.00 0.00 208 A 8.64 5.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 H 9.25 5.01 0.00 2.95 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 P 0.00 4.16 0.00 2.13 2.02 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 211 A 7.74 3.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 S 7.67 4.62 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 S 7.96 3.75 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 T 7.61 4.77 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 215 K 8.50 5.06 0.00 1.56 1.64 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.36 7.81 216 V 8.90 4.29 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.86 0.00 0.00 217 D 8.76 4.95 0.00 2.53 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 K 8.73 4.29 0.00 1.83 1.62 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.46 7.81 219 K 8.64 4.59 0.00 1.87 1.77 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.60 7.81 220 I 8.84 4.40 2.09 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.20 0.95 0.00 0.00 221 V 8.45 4.63 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.02 0.00 0.00 222 P 0.00 4.60 0.00 2.01 1.93 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 223 R 8.66 4.31 0.00 2.05 2.06 0.00 3.25 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.